Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 37 for “"Rate theory"”.
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Understanding Allosteric Arginine Mutations Using Macromolecular Rate Theory
Enzyme catalysed reaction rates have been traditionally modelled with the Arrhenius and Eyring-Polanyi equations. These models assume that the reaction rate is exponential with temperature, and thus the natural log of the reaction rate versus 1/T is linear. Significant deviations from these models …
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Growth rate theory of a single water droplet
Includes bibliographical references (pages 103-104).
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Exchange rate theory and practice: target zones and asymmetrical currency substitution
… two independent but related chapters on exchange rate theory and practice. The first chapter analyzes target zone exchange rate systems and provides an extension to the standard model of Krugman (1991). The standard model does not allow for imperfect credibility nor for interventions within the …
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Temperature dependence of plant photosynthesis and respiration using the Macromolecular Rate Theory (MMRT)
… CO2 compensation point (Γ*), the rate of CO2 release in the light (DL), the maximal carboxylation capacity (Vcmax), the maximal electron transport capacity (Jmax), and the components of dark respiration (Rdark). The central objective was to identify temperature dependence models …
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Binary molecular diffusivities in liquids: prediction and comparison with experimental data
"The Eyring rate theory equation has been modified successfully to enable predictions of binary molecular diffusivities for a wide variety of liquid-liquid systems. The activation free energy for binary diffusion has been evaluated in terms of the activation free energies for self diffusion of the …
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The Concept of Collision Strength and Its Applications
… and expressed in a uniform expression. The new theory provides a simple and exact method for describing the equilibrium plasma collision rate, and a precise calculation of the equilibrium relaxation time. It generalizes bimolecular collision reaction rate theory to a reaction rate theory for …
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First-Principles Study of Electronic Structure and Optical Properties of Semiconductor Surfaces Unified Approach for Exact Calculation of Coupling Coefficients of Quantum Angular Momenta
We present accurate results for the dynamics of an initially localized two-level (TLS) system coupled to a generic dissipative environment and driven by a periodic force which in the semiclassical limit is equivalent to a continuous-wave electromagnetic field. The time evolution is calculated via …
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The accelerated characterization of viscoelastic composite materials
… is provided. Subsequently the accelerated characterization techniques of Time Temperature Superposition and Time Temperature Stress Superposition are treated in detail. An experimental procedure for applying the latter to composites is given along with results obtained on a particular …
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Modeling Radiation Damage in Nanostructured Ferritic Alloys: Helium Bubble Precipitation on Oxide Nanofeatures
… To further study the material, a mean-field rate theory model (MF-RTM) was created to simulate the radiation-induced segregation (RIS) of the alloy components Y, Ti, and O to the grain boundaries. Later, a kinetic Monte Carlo model (KMC) was made that replicated the results from the rate …
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Price discovery in the foreign exchange market
… using high frequency data. Traditional exchange rate models assume market homogeneity and the sole existence of public information. However. recent studies suggest such assumptions are not well founded and have generated the 'disconnection' puzzle of exchange rates deviating from their …
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A Brownian Dynamics Analysis of Ion Movement in Membrane Channels
… of this thesis is to review and extend the theory of ion transport through membrane channel. A review of previous theory is presented which includes both Nernst-Planck and Eyring Rate theory approaches. The predictions and assumptions of the two theories are discussed and a unified …
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Nanofluidic devices for rapid analysis of DNA and proteins
… based upon the equilibrium partitioning theory and the Kramers rate theory properly describes the field-dependent sieving behavior, presenting notable progress beyond the existing equilibrium model in conventional gels.
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Stochastic chaos and thermodynamic phase transitions : theory and Bayesian estimation algorithms
… of statistical mechanics through ergodic theory. This putative connection is made more concrete in Part I of this thesis, where we show how to quantify certain chaotic properties of a system that are of relevance to statistical mechanics and kinetic theory. We consider the motion of a …
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Asymmetric Exchange Rate Pass-Through in Southeast Asian Rice Trade
… This paper estimates the impact of exchange rate fluctuations on bilateral trade flows in Southeast Asia. Because most Southeast Asian countries have state trading enterprises or agencies controlling rice trade, this analysis will provide insight as to whether these agencies respond to …
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Synchronization and Signal Enhancement in Nonlinear and Stochastic Systems
… equations allow us to examine experimental strategies for obtaining higher power outputs from arrays. These strategies rely on resonant architectures that place the junctions near antinodes of a desired standing wave mode of the fluctuating current. Simple, heuristic rules are derived for the …
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Mean-Field Parameter Study of Radiation-Induced Segregation in a Binary Metal Alloy
… box. This mean-field method was developed using rate theory equations to observe the diffusion of defects and solute atoms in the binary BCC alloy modeled after a section of planes in the <100> direction of α-iron. The method in this thesis is adapted from a previous radiation-induced segregation …
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Predictive kinetic modeling of low-temperature hydrocarbon oxidation
… electronic structure calculations, reaction rate theory, automated kinetic modeling and empirical correlations to further our mechanistic understanding of low-temperature oxidation in the gas and liquid phase. First, an extensible framework for automatic estimation of species thermochemistry …
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Investigations of Thermochemistry and the Kinetics of H Atom Radical Reactions
… mechanical calculations up to the G3 level of theory, the C-H bond strengths of several alkanes were calculated. The bond strengths were calculated using two working reactions. From the results, it is apparent that the bond strengths decrease as methyl groups are added to the central carbon. …
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Phase space and path integral approaches to quantum dynamics
… frameworks. Second, we present developments of rate theory methods. We extend the existing reactive flux rate methods to exact quantum classical methods. Two different initial conditions are proposed. If the transients are important, we show that the so-called ""non-equilibrium"" initial …
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Measuring the temperature response of soil respiration from two distinct carbon pools in soil.
… temperatures (~2 – 50 °C). Resulting CO₂ was separated into litter and soil organic carbon (SOC) sourced respiration rates using a mixing model, and then fit with macromolecular rate theory (MMRT). Litter-derived respiration had a lower temperature optimum (Tₒₚₜ) than SOC-derived respiration. It …
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